N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide

C19H19ClN2O4 — CID 36542869

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-25-16-10-17(26-2)15(9-14(16)20)22-19(24)12-4-3-5-13(8-12)21-18(23)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPACWCZQHHJQGDD-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.96
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 36542869) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
PubChem CID36542869
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-25-16-10-17(26-2)15(9-14(16)20)22-19(24)12-4-3-5-13(8-12)21-18(23)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPACWCZQHHJQGDD-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 31801212
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
1-(3-acetylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)thiourea
CID 2206703
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
CID 34143285
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide (CID 36542869) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide is COc1cc(OC)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is PACWCZQHHJQGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-16-10-17(26-2)15(9-14(16)20)22-19(24)12-4-3-5-13(8-12)21-18(23)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 374.82 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 36542869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).